Using VASP

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E-fermi for band structure

Last post by user « Fri Nov 16, 2007 9:52 pm
Replies: 2
by user » Thu Nov 08, 2007 2:38 am

2 Replies

10034 Views

Last post by user
Fri Nov 16, 2007 9:52 pm
2pi/SCALE, what is the meaning of SCALE?

Last post by sigi14 « Fri Nov 16, 2007 4:11 pm
Replies: 2
by sigi14 » Thu Nov 15, 2007 8:29 pm

2 Replies

6428 Views

Last post by sigi14
Fri Nov 16, 2007 4:11 pm
band structure K points?

Last post by Jiaye Li « Thu Nov 15, 2007 1:44 am
Replies: 6
by Jiaye Li » Thu Oct 25, 2007 12:08 am

6 Replies

13173 Views

Last post by Jiaye Li
Thu Nov 15, 2007 1:44 am
How to read the lattice parameters from OUCAR?

Last post by Jiaye Li « Thu Nov 15, 2007 1:42 am
Replies: 3
by Jiaye Li » Sat Oct 27, 2007 12:52 pm

3 Replies

6708 Views

Last post by Jiaye Li
Thu Nov 15, 2007 1:42 am
How can I make a movie of vibration frequencies?

Last post by admin « Mon Nov 12, 2007 12:26 pm
Replies: 1
by mgarcia » Mon Nov 12, 2007 10:48 am

1 Replies

5442 Views

Last post by admin
Mon Nov 12, 2007 12:26 pm
Vibration frequancy

Last post by Franky « Thu Nov 08, 2007 9:16 am
Replies: 4
by simoneca » Tue Nov 06, 2007 10:10 am

4 Replies

8130 Views

Last post by Franky
Thu Nov 08, 2007 9:16 am
num prob

Last post by admin « Wed Nov 07, 2007 3:06 pm
Replies: 1
by Greekman » Wed Nov 07, 2007 11:58 am

1 Replies

9972 Views

Last post by admin
Wed Nov 07, 2007 3:06 pm
lanthanum (La) GGA pseudopotential

Last post by admin « Wed Nov 07, 2007 12:01 pm
Replies: 1
by mindflying » Thu Nov 01, 2007 8:12 pm

1 Replies

5206 Views

Last post by admin
Wed Nov 07, 2007 12:01 pm
Is charge transfer from molecules to surfaces possible in vasp?

Last post by admin « Tue Nov 06, 2007 1:48 pm
Replies: 1
by vaspwu » Mon Nov 05, 2007 8:22 am

1 Replies

4538 Views

Last post by admin
Tue Nov 06, 2007 1:48 pm
parallelization scheme in VASP

Last post by admin « Tue Nov 06, 2007 1:42 pm
Replies: 1
by jhlee » Sat Nov 03, 2007 12:00 am

1 Replies

4095 Views

Last post by admin
Tue Nov 06, 2007 1:42 pm
IR spectra

Last post by admin « Tue Nov 06, 2007 1:26 pm
Replies: 1
by rudra-b » Tue Oct 30, 2007 10:05 am

1 Replies

6609 Views

Last post by admin
Tue Nov 06, 2007 1:26 pm
Call to ZHEGV failed

Last post by admin « Tue Nov 06, 2007 1:07 pm
Replies: 1
by TAT » Sun Oct 28, 2007 4:20 pm

1 Replies

7247 Views

Last post by admin
Tue Nov 06, 2007 1:07 pm
How can I read WAVECAR

Last post by kinyip « Tue Nov 06, 2007 2:29 am
Replies: 2
by hehui » Wed May 23, 2007 2:15 pm

2 Replies

7389 Views

Last post by kinyip
Tue Nov 06, 2007 2:29 am
Quantitative Interpretation of Projected DOS

Last post by Franky « Mon Oct 29, 2007 8:57 am
Replies: 3
by Franky » Tue Sep 18, 2007 8:55 am

3 Replies

8474 Views

Last post by Franky
Mon Oct 29, 2007 8:57 am
supercell tetragonal distortion

Last post by admin « Thu Oct 25, 2007 8:24 am
Replies: 1
by lsam » Wed Oct 24, 2007 4:53 pm

1 Replies

4619 Views

Last post by admin
Thu Oct 25, 2007 8:24 am
how can I write WAVECAR and charge density during the iterations?

Last post by admin « Wed Oct 24, 2007 9:53 am
Replies: 5
by zj » Tue May 17, 2005 2:37 pm

5 Replies

14833 Views

Last post by admin
Wed Oct 24, 2007 9:53 am
Electric polarization

Last post by chlee « Mon Oct 22, 2007 4:43 pm
Replies: 3
by chlee » Fri Oct 19, 2007 9:41 pm

3 Replies

6366 Views

Last post by chlee
Mon Oct 22, 2007 4:43 pm
Is the Gibbs free energy calculated by VASP?

Last post by admin « Fri Oct 19, 2007 1:51 pm
Replies: 3
by oja » Thu Oct 18, 2007 8:06 am

3 Replies

9923 Views

Last post by admin
Fri Oct 19, 2007 1:51 pm
The adsorption energy is bonus?

Last post by radny « Wed Oct 17, 2007 6:21 am
Replies: 7
by lanjh » Wed Jun 27, 2007 12:54 am

7 Replies

11175 Views

Last post by radny
Wed Oct 17, 2007 6:21 am
NEB parallel

Last post by Jiaye Li « Wed Oct 17, 2007 1:29 am
Replies: 2
by Jiaye Li » Mon Oct 15, 2007 11:57 am

2 Replies

6273 Views

Last post by Jiaye Li
Wed Oct 17, 2007 1:29 am

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